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Chemical ID: 7084060

COc1ccc(cc1)N=C2C(=Cc3ccc(o3)c4ccccc4)SC(=O)N2

Chemical ID:

7084060

Name [?]:

4-(4-methoxyphenyl)imino-5-[(5-phenyl-2-furyl)methylene]thiazolidin-2-one

SMILES [?]:

COc1ccc(cc1)N=C2C(=Cc3ccc(o3)c4ccccc4)SC(=O)N2

InChi [?]:

InChI=1/C21H16N2O3S/c1-25-16-9-7-15(8-10-16)22-20-19(27-21(24)23-20)13-17-11-12-18(26-17)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,23,24)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,19,23,5,7,4,8,14,15,12,18,6,3,13,16,11,10,25,9,27,26,2,17,24/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCOCCCCCCNCCCCCCCOCCCCCCSCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;w11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s11;s24;d25;s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₆N₂O₃S
All Atoms:	43
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.38531
Area:	546.622
Solvation:	-4.28023
Coulombic:	-42.8715

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	4
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	376.429
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.66
LogP (Chemaxon):	4.5

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value